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BDBM93795 2-({3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzyl}amino)-2-methyl-1-propanol::2-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methylamino]-2-methyl-propan-1-ol;hydrochloride::2-[[3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]amino]-2-methyl-propan-1-ol;hydrochloride::2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methyl-1-propanol;hydrochloride::2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride::MLS000704185::SMR000228873::cid_15944972

SMILES: COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(Cl)cc1

InChI Key: InChIKey=VGDJMCOVGPXEGS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 93795   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein HSP-16.2


(Caenorhabditis elegans)
BDBM93795
PNG
(2-({3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzy...)
Show SMILES COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H23BrClNO3/c1-19(2,12-23)22-10-14-8-16(20)18(17(9-14)24-3)25-11-13-4-6-15(21)7-5-13/h4-9,22-23H,10-12H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21J98BN
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM93795
PNG
(2-({3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzy...)
Show SMILES COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H23BrClNO3/c1-19(2,12-23)22-10-14-8-16(20)18(17(9-14)24-3)25-11-13-4-6-15(21)7-5-13/h4-9,22-23H,10-12H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.97E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair